SCHEMBL6130719

SCHEMBL6130719

O=c1c2ccccc2[s+]([O-])c2ccc3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.41
PAX8 Q06710 3/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
FYN P06241 1/20 0.40
MAPK3 P27361 1/20 0.40
AHR P35869 1/20 0.40
TDP1 Q9NUW8 3/20 0.37
TSHR P16473 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2A6 P11509 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
AKR1B1 P15121 2/20 0.36
POLB P06746 1/20 0.36
PTPN1 P18031 1/20 0.36
HPRT1 P00492 1/20 0.34
CYP3A4 P08684 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL472592 0.79 ALDH1A1 (0.41) HSD17B10ALDH1A1L3MBTL1AKR1B1POLB
SCHEMBL9477914 0.74 AKR1B1 (0.34) PAX8CYP1A2HSD17B10ALDH1A1L3MBTL1
SCHEMBL3811372 0.72 IKBKE (0.36) CYP1A2TSHRL3MBTL1AKR1B1CYP3A4
SCHEMBL7198421 0.71 HPRT1 (0.41) ABCG2PAX8CYP1A1CYP1A2FYN
SCHEMBL7755100 0.71 HPRT1 (0.55) ABCG2PAX8CYP1A2TDP1TSHR
SCHEMBL30286606 0.70 CYP2A6 (0.33) CYP1A2TDP1TSHRHSD17B10ALDH1A1
SCHEMBL205562 0.70 CYP2A6 (0.33) CYP1A2TDP1TSHRHSD17B10ALDH1A1
SCHEMBL4634507 0.69 KDM4E (0.47) HSD17B10ALDH1A1L3MBTL1HPGDMAPK1
SCHEMBL10865299 0.66 MCL1 (0.44) PAX8TDP1TSHRHSD17B10ALDH1A1
SCHEMBL268735 0.65 ALDH1A1 (0.65) PAX8CYP1A2TDP1TSHRHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5059039-A None JP disclosed
EP-0933227-B1 Method of dispensing a print medium comprising a near infrared fluorescent sense mark and apparatus therefor NCR INT INC (US) 2005-11-16 EP disclosed
EP-1467621-A4 USE OF PULSED LIGHT TO DEACTIVATE TOXIC AND PATHOGENIC BACTERIA XENON CORP (US) 2005-04-20 EP disclosed
EP-1467621-A1 USE OF PULSED LIGHT TO DEACTIVATE TOXIC AND PATHOGENIC BACTERIA XENON CORPORATION (US) 2004-10-20 EP disclosed
US-6770687-B1 Water-based dual security ink NCR CORPORATION 2004-08-03 US disclosed
WO-2003061382-A9 USE OF PULSED LIGHT TO DEACTIVATE TOXIC AND PATHOGENIC BACTERIA XENON CORP (US) 2004-06-24 WO disclosed
US-20040028553-A1 Use of pulsed light to deactivate toxic and pathogenic bacteria XENON CORPORATION 2004-02-12 US disclosed
WO-2003061382-A1 USE OF PULSED LIGHT TO DEACTIVATE TOXIC AND PATHOGENIC BACTERIA XENON CORPORATION (US) 2003-07-31 WO disclosed
EP-0844097-B1 Thermal paper with security features and security ink therefor NCR INT INC (US) 2001-07-18 EP disclosed
US-6245711-B1 Thermal paper with security features NCR CORPORATION 2001-06-12 US disclosed
EP-0844097-A1 Thermal paper with security features and security ink therefor NCR INTERNATIONAL INC. (US) 1998-05-27 EP disclosed
EP-0816116-A1 Thermal transfer formulations NCR INTERNATIONAL INC. (US) 1998-01-07 EP disclosed
EP-0594538-A2 Photochromatic acridone derivatives, process for their preparation and their use CIBA-GEIGY AG (CH) 1994-04-27 EP disclosed
EP-0592366-A1 Photochromic compounds, their preparation and their use CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed
US-5225525-A Photochromic benzothioxanthone oxides, process for their preparation and the use thereof CIBA-GEIGY CORPORATION (US) 1993-07-06 US disclosed
US-5225525-A Photochromic benzothioxanthone oxides, process for their preparation and the use thereof CIBA-GEIGY CORPORATION (US) 1993-07-06 US disclosed
JP-H0559039-A BENZOTHIOXANTHONE OXIDE CIBA GEIGY AG 1993-03-09 JP disclosed
US-5177218-A PHOTOCHROMIC BENZOTHIOXANTHONE OXIDES, PROCESS FOR THEIR PREPARATION AND THE USE THEREOF CIBA-GEIGY CORPORATION (US) 1993-01-05 US disclosed
EP-0494048-A1 Photochromic benzothioxanthoneoxides, process for their preparation and their use CIBA-GEIGY AG (CH) 1992-07-08 EP disclosed
EP-0494048-A1 Photochromic benzothioxanthoneoxides, process for their preparation and their use CIBA-GEIGY AG (CH) 1992-07-08 EP disclosed